ethyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-chlorobenzothiophene-2-carbonyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18ClN3O3S2 MolecularWeight: 411.92612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H18ClN3O3S2/c1-2-24-17(23)21-9-7-20(8-10-21)16(25)19-15(22)14-13(18)11-5-3-4-6-12(11)26-14/h3-6H,2,7-10H2,1H3,(H,19,22,25)